In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 23rd, 2010 | 22 | Yes |
Popular Name: 1-[2-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-yl]-2-oxo-ethyl]pyrrolidin-2-one 1-[2-[4-[(5-chloro-2-thienyl)met…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 1.41 | 6.06 | -16.36 | 0 | 5 | 0 | 44 | 341.864 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.41 | 8.27 | -57.73 | 1 | 5 | 1 | 45 | 342.872 | 4 | ↓ |